The files contained here relate to the following publication: 

The Highly Surprising Behaviour of Diphosphine Ligands in Iron-Catalysed Negishi Cross-Coupling

Authors:

Antonis M. Messinis, Stephen L. J. Luckham, Peter P. Wells, Diego Gianolio, Emma K. Gibson, Harry M. O’Brien, Hazel A. Sparkes, Sean A. Davis, June Callison, David Elorriaga, Oscar Hernandez Fajardo, Robin B. Bedford


Inventory: The data are comprised of NMR data; React IR Kinetic profiles Data; UV-Vis Spectroscopy Data; CHN Elemental Analysis Data; Mass Spectrometry Data; X-ray Absorption Spectroscopy Data; TEM Data and GC-FID and these data can be studied as described below. 

CHN Elemental Analysis Data
The pdf files can be opened using Adobe Acrobat Reader  which is free to download

UV-Vis Spectroscopy Data
The .txt files can be viewed using Notepad++ and processed using Spectragryph both of which are free to download.

X-ray Absorption Spectroscopy Data
The .prj and .dat files can be opened using Demeter (Athena and Artemis) which can be downloaded for free here: https://bruceravel.github.io/demeter/

NMR DATA
The .fid, .jdf and .mnova files can be opened using iNMR or spinworks software which is free to download.

React IR Kinetic Profiles DATA
Data collected with the ReactIR 15 instrument can be viewed in iC IR software which is proprietary software available from Mettler Toledo. Text files (.txt) are also included in the folder for each catalysis run, which can be viewed using Notepad++ which is free to download.

MASS SPECTROMETRY DATA
Mass Spec data can be viewed in Compass Data Analysis which is proprietary software available from Bruker. PDF files are also included in the folder for each compound (Filename: “Report.pdf”), which can be viewed using freely available pdf viewers such as Adobe Acrobat Reader DC.

TEM DATA
SI177 = TEM images (tif, dm4): TEM images of the unwashed iron nanoparticles isolated from the reaction between FeBr2 and Mg-free 2a. Upper = a; lower = b.
DM4 viewable in GMS 3 (Gatan microscopy suite, freely downloadable from http://www.gatan.com/installation-instructions)
tif viewable with most common imaging programs (eg windows paint)
SI178 = EDX spectrum (bmp, txt): EDX spectrum of unwashed iron nanoparticles isolated from the reaction between FeBr2 and Mg-free 2a indicating presence of Fe, Zn, Br and I (Cu signal is due to specimen support grid). 
bmp viewable with most common imaging programs (eg windows paint or image J). 
Data txt file can be imported into common graph plotting programs (origin, excel) to allow the spectrum to be replotted. Details of acquisition parameters to facilitate this are detailed in the summary file (txt).
SI179 = EDX element maps (bmp, csv): HAADF-STEM image of unwashed iron nanoparticles isolated from the reaction between FeBr2 and Mg-free 2a (SI179EI) and corresponding elemental maps for Fe, I, Zn and Br (SI179: Fe, I, Zn, Br). 
Details of acquisition parameters for individual element maps are detailed in the summary file (txt). 
bmp viewable with most common imaging programs (eg windows paint or image J)
csv which can be accessed by any text editor, graphing or data analysis software
txt readable by common text editors (eg wordpad)
SI180 = TEM images (tif, dm4): TEM images of the iron nanoparticles isolated from the reaction between FeBr2 and Mg-free 2a after washing with deoxygenated deionised water. Upper left = a; upper right = b; lower = c.
DM4 viewable in GMS 3 (Gatan microscopy suite, freely downloadable from http://www.gatan.com/installation-instructions)
tif viewable with most common imaging programs (eg windows paint)
SI181 = EDX spectrum (bmp, txt): EDX spectrum of iron nanoparticles isolated from the reaction between FeBr2 and Mg-free after washing with deoxygenated and deionised water indicating presence of Fe, Zn and Br (Cu signal is due to specimen support grid).
bmp viewable with most common imaging programs (eg windows paint or image J). 
Data txt file can be imported into common graph plotting programs (origin, excel) to allow the spectrum to be replotted. Details of acquisition parameters to facilitate this are detailed in the summary file (txt).
SI182 = EDX element maps (bmp, csv): HAADF-STEM image of iron nanoparticles isolated from the reaction between FeBr2 and Mg-free 2a after washing with deoxygenated deionised water (SI182EI). and corresponding elemental maps for Fe, Zn and Br (SI182: Fe, Zn, Br).
Details of acquisition parameters for individual element maps are detailed in the summary file (txt). 
bmp viewable with most common imaging programs (eg windows paint or image J)
csv which can be accessed by any text editor, graphing or data analysis software
txt readable by common text editors (eg wordpad)
SI183 = EDX line scan (bmp, csv): HAADF-STEM image (SI183Electron Image 89) indicating scanline and corresponding combined linescans for Fe, Zn and Br (SI183 combined Line Data) of iron nanoparticles isolated from the reaction between FeBr2 and Mg-free 2a after washing with deoxygenated deionised water.
Details of acquisition parameters for linescans are detailed in the summary file (txt) and readable by common text editors (eg wordpad).
bmp viewable with most common imaging programs (eg windows paint or image J)
csv which can be accessed by any text editor, graphing or data analysis software
txt.

GC-FID Data
The .dat files can be viewed and processed with UniChrom software which is free to download. Other free software are also reviewed here: Mediterranean Journal of Chemistry 2015, 4(4), 193-200